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Oxidation half-reaction of aqueous nucleosides and nucleotides via photoelectron spectroscopy augmented by ab initio calculations

Tutkimustuotosvertaisarvioitu

Standard

Oxidation half-reaction of aqueous nucleosides and nucleotides via photoelectron spectroscopy augmented by ab initio calculations. / Schroeder, Christi A.; Pluharová, Eva; Seidel, Robert; Schroeder, William P.; Faubel, Manfred; Slavíçek, Petr; Winter, Bernd; Jungwirth, Pavel; Bradforth, Stephen E.

julkaisussa: Journal of the American Chemical Society, Vuosikerta 137, Nro 1, 14.01.2015, s. 201-209.

Tutkimustuotosvertaisarvioitu

Harvard

Schroeder, CA, Pluharová, E, Seidel, R, Schroeder, WP, Faubel, M, Slavíçek, P, Winter, B, Jungwirth, P & Bradforth, SE 2015, 'Oxidation half-reaction of aqueous nucleosides and nucleotides via photoelectron spectroscopy augmented by ab initio calculations', Journal of the American Chemical Society, Vuosikerta. 137, Nro 1, Sivut 201-209. https://doi.org/10.1021/ja508149e

APA

Schroeder, C. A., Pluharová, E., Seidel, R., Schroeder, W. P., Faubel, M., Slavíçek, P., ... Bradforth, S. E. (2015). Oxidation half-reaction of aqueous nucleosides and nucleotides via photoelectron spectroscopy augmented by ab initio calculations. Journal of the American Chemical Society, 137(1), 201-209. https://doi.org/10.1021/ja508149e

Vancouver

Schroeder CA, Pluharová E, Seidel R, Schroeder WP, Faubel M, Slavíçek P et al. Oxidation half-reaction of aqueous nucleosides and nucleotides via photoelectron spectroscopy augmented by ab initio calculations. Journal of the American Chemical Society. 2015 tammi 14;137(1):201-209. https://doi.org/10.1021/ja508149e

Author

Schroeder, Christi A. ; Pluharová, Eva ; Seidel, Robert ; Schroeder, William P. ; Faubel, Manfred ; Slavíçek, Petr ; Winter, Bernd ; Jungwirth, Pavel ; Bradforth, Stephen E. / Oxidation half-reaction of aqueous nucleosides and nucleotides via photoelectron spectroscopy augmented by ab initio calculations. Julkaisussa: Journal of the American Chemical Society. 2015 ; Vuosikerta 137, Nro 1. Sivut 201-209.

Bibtex - Lataa

@article{d24c14a7f786489ba142b3e6ece2bd21,
title = "Oxidation half-reaction of aqueous nucleosides and nucleotides via photoelectron spectroscopy augmented by ab initio calculations",
abstract = "Oxidative damage to DNA and hole transport between nucleobases in oxidized DNA are important processes in lesion formation for which surprisingly poor thermodynamic data exist, the relative ease of oxidizing the four nucleobases being one such example. Theoretical simulations of radiation damage and charge transport in DNA depend on accurate values for vertical ionization energies (VIEs), reorganization energies, and standard reduction potentials. Liquid-jet photoelectron spectroscopy can be used to directly study the oxidation half-reaction. The VIEs of nucleic acid building blocks are measured in their native buffered aqueous environment. The experimental investigation of purine and pyrimidine nucleotides, nucleosides, pentose sugars, and inorganic phosphate demonstrates that photoelectron spectra of nucleotides arise as a spectral sum over their individual chemical components; that is, the electronic interactions between each component are effectively screened from one another by water. Electronic structure theory affords the assignment of the lowest energy photoelectron band in all investigated nucleosides and nucleotides to a single ionizing transition centered solely on the nucleobase. Thus, combining the measured VIEs with theoretically determined reorganization energies allows for the spectroscopic determination of the one-electron redox potentials that have been difficult to establish via electrochemistry.",
author = "Schroeder, {Christi A.} and Eva Pluharov{\'a} and Robert Seidel and Schroeder, {William P.} and Manfred Faubel and Petr Slav{\'i}{\cc}ek and Bernd Winter and Pavel Jungwirth and Bradforth, {Stephen E.}",
year = "2015",
month = "1",
day = "14",
doi = "10.1021/ja508149e",
language = "English",
volume = "137",
pages = "201--209",
journal = "Journal of the American Chemical Society",
issn = "0002-7863",
publisher = "American Chemical Society",
number = "1",

}

RIS (suitable for import to EndNote) - Lataa

TY - JOUR

T1 - Oxidation half-reaction of aqueous nucleosides and nucleotides via photoelectron spectroscopy augmented by ab initio calculations

AU - Schroeder, Christi A.

AU - Pluharová, Eva

AU - Seidel, Robert

AU - Schroeder, William P.

AU - Faubel, Manfred

AU - Slavíçek, Petr

AU - Winter, Bernd

AU - Jungwirth, Pavel

AU - Bradforth, Stephen E.

PY - 2015/1/14

Y1 - 2015/1/14

N2 - Oxidative damage to DNA and hole transport between nucleobases in oxidized DNA are important processes in lesion formation for which surprisingly poor thermodynamic data exist, the relative ease of oxidizing the four nucleobases being one such example. Theoretical simulations of radiation damage and charge transport in DNA depend on accurate values for vertical ionization energies (VIEs), reorganization energies, and standard reduction potentials. Liquid-jet photoelectron spectroscopy can be used to directly study the oxidation half-reaction. The VIEs of nucleic acid building blocks are measured in their native buffered aqueous environment. The experimental investigation of purine and pyrimidine nucleotides, nucleosides, pentose sugars, and inorganic phosphate demonstrates that photoelectron spectra of nucleotides arise as a spectral sum over their individual chemical components; that is, the electronic interactions between each component are effectively screened from one another by water. Electronic structure theory affords the assignment of the lowest energy photoelectron band in all investigated nucleosides and nucleotides to a single ionizing transition centered solely on the nucleobase. Thus, combining the measured VIEs with theoretically determined reorganization energies allows for the spectroscopic determination of the one-electron redox potentials that have been difficult to establish via electrochemistry.

AB - Oxidative damage to DNA and hole transport between nucleobases in oxidized DNA are important processes in lesion formation for which surprisingly poor thermodynamic data exist, the relative ease of oxidizing the four nucleobases being one such example. Theoretical simulations of radiation damage and charge transport in DNA depend on accurate values for vertical ionization energies (VIEs), reorganization energies, and standard reduction potentials. Liquid-jet photoelectron spectroscopy can be used to directly study the oxidation half-reaction. The VIEs of nucleic acid building blocks are measured in their native buffered aqueous environment. The experimental investigation of purine and pyrimidine nucleotides, nucleosides, pentose sugars, and inorganic phosphate demonstrates that photoelectron spectra of nucleotides arise as a spectral sum over their individual chemical components; that is, the electronic interactions between each component are effectively screened from one another by water. Electronic structure theory affords the assignment of the lowest energy photoelectron band in all investigated nucleosides and nucleotides to a single ionizing transition centered solely on the nucleobase. Thus, combining the measured VIEs with theoretically determined reorganization energies allows for the spectroscopic determination of the one-electron redox potentials that have been difficult to establish via electrochemistry.

UR - http://www.scopus.com/inward/record.url?scp=84921038760&partnerID=8YFLogxK

U2 - 10.1021/ja508149e

DO - 10.1021/ja508149e

M3 - Article

VL - 137

SP - 201

EP - 209

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

SN - 0002-7863

IS - 1

ER -